1-isothiocyanato-2-methyl-3-(trifluoromethyl)benzene

Systemtic Name: 1-isothiocyanato-2-methyl-3-(trifluoromethyl)benzene Openeye Name: 1-isothiocyanato-2-methyl-3-(trifluoromethyl)benzene CAS Name: 1-isothiocyanato-2-methyl-3-(trifluoromethyl)benzene IUPAC Name: 1-isothiocyanato-2-methyl-3-(trifluoromethyl)benzene Traditional Name: 1-isothiocyanato-2-methyl-3-(trifluoromethyl)benzene Formula: C9H6F3NS MolecularWeight: 217.21085

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1N=C=S)C(F)(F)F

Isomeric SMILES

CC1=C(C=CC=C1N=C=S)C(F)(F)F

InChI

InChI=1S/C9H6F3NS/c1-6-7(9(10,11)12)3-2-4-8(6)13-5-14/h2-4H,1H3